==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUL-10 3NTL . COMPND 2 MOLECULE: ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR I.GRISHKOVSKAYA,W.HOEHNE . 775 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 532 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 44 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 257 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 3 2 0 0 3 4 1 0 2 0 2 0 2 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 2 2 0 2 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A S 0 0 82 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 129.3 -34.2 -8.1 -0.5 2 2 A P > - 0 0 30 0, 0.0 3,-2.3 0, 0.0 2,-0.1 -0.137 360.0 -67.1 -59.7 162.5 -35.4 -11.1 -2.6 3 3 A E T 3 S+ 0 0 164 1,-0.3 324,-0.2 322,-0.1 3,-0.1 -0.319 124.5 11.8 -47.9 122.0 -35.4 -14.7 -1.4 4 4 A G T 3 S+ 0 0 19 1,-0.3 322,-1.9 -3,-0.1 2,-0.3 0.472 94.3 135.6 74.0 3.9 -31.8 -16.0 -1.0 5 5 A Y E < -A 325 0A 32 -3,-2.3 2,-0.4 320,-0.2 -1,-0.3 -0.719 33.2-172.6 -81.9 134.6 -30.4 -12.5 -1.4 6 6 A Q E -A 324 0A 89 318,-1.8 318,-2.9 -2,-0.3 2,-0.2 -0.978 18.8-138.6-130.0 118.9 -27.7 -11.8 1.2 7 7 A L E +A 323 0A 2 62,-0.6 316,-0.2 -2,-0.4 3,-0.1 -0.605 29.6 167.1 -75.0 134.5 -26.2 -8.3 1.6 8 8 A E E + 0 0 67 314,-2.6 2,-0.3 1,-0.3 315,-0.2 0.542 55.6 20.2-124.6 -28.2 -22.4 -8.6 2.1 9 9 A Q E -A 322 0A 5 313,-1.4 313,-2.2 2,-0.0 -1,-0.3 -0.994 56.0-174.7-143.9 146.4 -20.7 -5.1 1.7 10 10 A V E -Ab 321 281A 1 270,-2.6 272,-1.6 -2,-0.3 2,-0.4 -0.985 9.7-166.1-136.2 146.4 -21.9 -1.5 2.0 11 11 A L E -Ab 320 282A 1 309,-2.0 309,-3.0 -2,-0.3 2,-0.6 -0.983 11.7-161.5-126.5 128.5 -20.2 1.9 1.3 12 12 A I E -Ab 319 283A 1 270,-2.7 272,-3.1 -2,-0.4 2,-0.7 -0.951 2.9-167.8-113.2 112.3 -22.1 4.9 2.7 13 13 A M E -Ab 318 284A 0 305,-2.7 305,-2.9 -2,-0.6 2,-0.3 -0.929 23.8-174.0-102.5 110.9 -21.0 8.2 1.1 14 14 A S E -Ab 317 285A 0 270,-2.9 272,-2.8 -2,-0.7 2,-0.3 -0.757 26.9-138.6-111.3 151.1 -22.6 10.9 3.3 15 15 A R E - b 0 286A 7 301,-2.1 272,-0.2 -2,-0.3 269,-0.0 -0.698 44.9 -94.0 -88.0 152.1 -23.0 14.6 3.4 16 16 A A - 0 0 2 270,-1.2 299,-2.5 -2,-0.3 300,-0.3 -0.298 44.5-120.4 -51.9 153.8 -22.6 16.3 6.8 17 17 A N - 0 0 0 75,-0.4 34,-0.1 297,-0.3 -1,-0.1 0.051 64.3 -19.5 -83.7-159.0 -25.9 16.8 8.7 18 18 A L S S+ 0 0 0 33,-0.2 30,-2.9 32,-0.1 33,-0.3 -0.261 70.9 168.6 -62.7 123.5 -27.4 20.1 9.9 19 19 A R B -H 47 0B 8 28,-0.3 28,-0.2 -3,-0.1 198,-0.1 -0.815 38.9 -98.1-127.4 156.1 -24.8 23.0 10.1 20 20 A A - 0 0 2 26,-2.3 25,-1.4 23,-0.4 3,-0.1 -0.469 62.0 -77.6 -64.2 149.5 -24.9 26.8 10.5 21 21 A P - 0 0 23 0, 0.0 24,-0.2 0, 0.0 25,-0.2 -0.217 66.0 -83.0 -51.6 138.9 -24.7 28.8 7.3 22 22 A L > - 0 0 53 22,-0.2 3,-1.5 1,-0.1 4,-0.3 -0.193 29.2-139.0 -53.2 132.2 -21.1 29.0 6.0 23 23 A A G > S+ 0 0 67 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.866 100.7 66.9 -61.7 -33.0 -19.1 31.8 7.6 24 24 A N G 3 S+ 0 0 153 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.665 98.6 51.5 -65.1 -18.2 -17.6 32.6 4.2 25 25 A N G <> S+ 0 0 18 -3,-1.5 4,-2.8 1,-0.2 -1,-0.3 0.463 79.7 103.9 -91.7 0.1 -21.0 33.9 3.0 26 26 A G H <> S+ 0 0 38 -3,-1.9 4,-2.1 -4,-0.3 -1,-0.2 0.848 81.5 43.9 -52.1 -43.0 -21.5 36.1 6.0 27 27 A S H > S+ 0 0 89 -4,-0.3 4,-3.1 -3,-0.2 -1,-0.2 0.894 111.9 51.7 -81.2 -31.1 -20.8 39.3 4.1 28 28 A V H > S+ 0 0 30 -4,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.947 110.8 49.8 -63.1 -44.2 -22.9 38.5 1.0 29 29 A L H >< S+ 0 0 15 -4,-2.8 3,-0.5 1,-0.2 4,-0.5 0.935 113.0 48.0 -58.9 -41.6 -25.8 37.7 3.3 30 30 A E H >< S+ 0 0 107 -4,-2.1 3,-0.8 -5,-0.3 -2,-0.2 0.906 113.0 46.4 -67.9 -42.8 -25.2 41.1 5.0 31 31 A Q H 3< S+ 0 0 62 -4,-3.1 140,-2.5 1,-0.2 141,-0.3 0.665 105.1 63.4 -69.4 -18.9 -25.0 43.0 1.7 32 32 A S T << S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.5 137,-0.2 0.534 110.4 19.9 -91.5 -7.1 -28.1 41.4 0.3 33 33 A T < - 0 0 4 -3,-0.8 -1,-0.2 -4,-0.5 132,-0.1 -0.979 55.0-139.4-157.8 148.8 -30.6 42.7 2.8 34 34 A P S S+ 0 0 70 0, 0.0 131,-0.1 0, 0.0 -1,-0.1 0.627 79.6 100.5 -80.7 -9.6 -31.2 45.4 5.4 35 35 A K S S- 0 0 51 129,-0.4 2,-0.4 1,-0.1 -2,-0.1 -0.267 80.1-105.7 -73.6 162.8 -32.8 42.8 7.7 36 36 A Q - 0 0 161 -2,-0.0 190,-0.1 1,-0.0 -1,-0.1 -0.699 26.2-132.9 -89.7 133.0 -31.2 41.1 10.5 37 37 A W - 0 0 46 -2,-0.4 186,-0.0 1,-0.1 -7,-0.0 -0.751 28.7-111.5 -81.5 126.7 -30.1 37.4 10.2 38 38 A P - 0 0 25 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.227 36.9-113.0 -51.2 141.3 -31.2 35.2 13.1 39 39 A E - 0 0 174 1,-0.0 2,-0.2 2,-0.0 -3,-0.0 -0.526 25.6-140.5 -85.9 148.3 -28.2 34.0 15.2 40 40 A W - 0 0 38 2,-0.2 4,-0.1 -2,-0.2 -1,-0.0 -0.676 20.0-119.4-106.5 159.6 -27.1 30.3 15.3 41 41 A E S S+ 0 0 79 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.711 96.3 34.7 -75.2 -17.6 -25.9 28.4 18.3 42 42 A V S S- 0 0 30 4,-0.1 -2,-0.2 1,-0.1 3,-0.1 -0.854 96.7 -83.0-132.6 163.6 -22.5 27.7 16.6 43 43 A P > - 0 0 62 0, 0.0 3,-1.9 0, 0.0 -23,-0.4 -0.300 68.2 -74.2 -57.9 151.6 -20.0 29.5 14.3 44 44 A G T 3 S+ 0 0 33 1,-0.2 -22,-0.2 -22,-0.1 -21,-0.2 -0.119 118.6 21.4 -51.1 137.7 -20.8 29.3 10.6 45 45 A G T 3 S+ 0 0 8 -25,-1.4 47,-0.4 1,-0.3 2,-0.3 0.462 95.4 119.4 87.8 -5.4 -20.1 26.0 9.0 46 46 A Q S < S- 0 0 36 -3,-1.9 -26,-2.3 -25,-0.2 -1,-0.3 -0.750 70.8-105.0 -92.8 153.4 -20.2 24.0 12.2 47 47 A L B -H 19 0B 3 -2,-0.3 -28,-0.3 -28,-0.2 2,-0.2 -0.326 35.1-132.4 -63.5 149.2 -22.6 21.2 12.9 48 48 A T > - 0 0 3 -30,-2.9 4,-1.5 1,-0.1 5,-0.1 -0.590 21.8-110.2 -97.7 167.1 -25.5 22.2 15.2 49 49 A T H > S+ 0 0 7 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.911 122.8 53.6 -60.2 -40.9 -26.5 20.0 18.2 50 50 A K H > S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.896 103.1 56.9 -58.3 -40.4 -29.8 19.2 16.3 51 51 A G H > S+ 0 0 0 -33,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.885 106.8 51.9 -53.4 -42.3 -27.6 18.1 13.3 52 52 A G H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.3 -1,-0.2 0.888 110.4 44.4 -58.4 -48.8 -26.1 15.7 15.8 53 53 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.888 113.0 52.6 -67.5 -39.0 -29.4 14.3 17.0 54 54 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.889 111.5 45.9 -65.8 -37.3 -30.6 14.0 13.4 55 55 A E H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.835 105.9 58.9 -77.2 -30.9 -27.5 12.1 12.5 56 56 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.915 106.9 50.4 -55.8 -45.9 -27.8 9.9 15.6 57 57 A Y H X S+ 0 0 16 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.904 108.3 50.3 -59.8 -40.9 -31.2 8.9 14.2 58 58 A M H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.874 111.2 50.2 -64.8 -39.1 -29.7 8.1 10.7 59 59 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.918 112.6 45.4 -59.8 -50.0 -27.1 5.9 12.5 60 60 A H H X S+ 0 0 13 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.924 113.4 50.8 -66.3 -42.7 -29.7 4.0 14.4 61 61 A Y H X S+ 0 0 6 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.953 111.8 46.4 -54.9 -50.4 -31.8 3.7 11.3 62 62 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.832 111.4 54.0 -63.5 -32.4 -28.9 2.3 9.3 63 63 A R H X S+ 0 0 28 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.948 108.5 46.7 -65.3 -46.8 -28.1 -0.0 12.2 64 64 A E H X S+ 0 0 32 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.908 114.7 49.0 -64.3 -44.4 -31.5 -1.5 12.3 65 65 A W H X S+ 0 0 15 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.942 109.6 50.2 -56.2 -50.3 -31.4 -1.9 8.4 66 66 A L H <>S+ 0 0 2 -4,-2.8 5,-3.5 1,-0.2 6,-0.8 0.862 113.7 46.5 -59.1 -34.8 -28.0 -3.6 8.5 67 67 A A H ><5S+ 0 0 25 -4,-2.2 3,-1.2 3,-0.2 -1,-0.2 0.847 107.7 55.7 -76.0 -36.4 -29.3 -6.0 11.2 68 68 A Q H 3<5S+ 0 0 113 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.899 111.8 45.4 -56.8 -39.3 -32.5 -6.6 9.2 69 69 A Q T 3<5S- 0 0 24 -4,-2.2 -62,-0.6 -5,-0.2 -1,-0.2 0.350 117.9-113.3 -89.2 4.0 -30.2 -7.6 6.3 70 70 A G T < 5S+ 0 0 51 -3,-1.2 -3,-0.2 2,-0.3 3,-0.1 0.674 82.8 120.7 74.8 19.6 -27.9 -9.8 8.5 71 71 A M S - 0 0 97 -2,-0.3 3,-1.2 -3,-0.1 -6,-0.1 -0.694 32.6-109.7 -93.3 136.9 -26.1 -8.8 14.7 74 74 A T T 3 S+ 0 0 105 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.335 100.2 18.2 -55.7 141.4 -28.6 -7.1 17.0 75 75 A G T 3 S+ 0 0 25 1,-0.1 2,-0.3 355,-0.1 -1,-0.2 0.730 110.6 79.1 70.2 19.3 -27.2 -6.5 20.5 76 76 A E S < S- 0 0 105 -3,-1.2 -1,-0.1 402,-0.0 -3,-0.1 -0.985 78.0-104.4-148.9 160.7 -23.5 -6.9 19.8 77 77 A a - 0 0 53 -2,-0.3 3,-0.1 30,-0.1 -4,-0.1 -0.545 40.7-107.3 -76.7 143.3 -20.6 -4.9 18.3 78 78 A P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.294 51.5 -77.2 -59.1 157.9 -19.3 -5.6 14.8 79 79 A A > - 0 0 61 1,-0.1 3,-2.2 2,-0.1 4,-0.4 -0.172 62.1 -84.6 -51.7 141.4 -15.9 -7.3 14.5 80 80 A A T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.1 30,-0.1 -0.199 114.7 7.4 -45.9 133.9 -12.8 -5.1 15.0 81 81 A D T 3 S+ 0 0 153 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.419 96.5 110.1 70.8 -3.6 -11.9 -3.2 11.8 82 82 A S S < S+ 0 0 22 -3,-2.2 199,-2.4 197,-0.2 2,-0.5 0.654 75.3 55.5 -76.6 -14.2 -15.1 -4.4 10.0 83 83 A V E S-c 281 0A 12 -4,-0.4 2,-0.6 197,-0.2 199,-0.2 -0.980 70.7-171.6-117.0 121.3 -16.4 -0.8 10.1 84 84 A Y E -c 282 0A 74 197,-3.0 199,-2.5 -2,-0.5 2,-0.5 -0.936 1.0-173.0-118.0 116.8 -14.2 1.9 8.6 85 85 A A E +cd 283 112A 0 26,-0.6 28,-3.1 -2,-0.6 2,-0.4 -0.908 6.6 173.9-111.1 128.3 -15.3 5.5 9.1 86 86 A Y E -cd 284 113A 28 197,-2.9 199,-1.9 -2,-0.5 2,-0.3 -0.992 6.5-178.1-138.8 119.2 -13.3 8.3 7.3 87 87 A A E -c 285 0A 0 26,-2.7 28,-0.4 -2,-0.4 199,-0.2 -0.890 35.9 -98.2-116.5 149.3 -14.4 12.0 7.4 88 88 A N - 0 0 0 197,-2.7 2,-1.9 -2,-0.3 6,-0.2 -0.291 47.4-104.8 -53.0 144.3 -13.1 15.1 5.9 89 89 A S S S+ 0 0 0 31,-0.2 30,-2.8 4,-0.1 31,-0.6 -0.107 84.9 109.2 -77.0 48.6 -11.0 17.1 8.4 90 90 A L S > S- 0 0 25 -2,-1.9 4,-2.7 28,-0.2 5,-0.4 -0.889 79.7-115.2-116.9 156.4 -13.6 19.7 9.2 91 91 A Q H > S+ 0 0 34 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.900 112.6 48.3 -52.1 -44.9 -15.6 20.1 12.3 92 92 A R H > S+ 0 0 39 -47,-0.4 4,-2.2 1,-0.2 -75,-0.4 0.849 113.6 43.6 -73.4 -34.4 -18.9 19.4 10.6 93 93 A T H > S+ 0 0 0 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 115.7 46.6 -78.9 -40.1 -17.9 16.3 8.8 94 94 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 -6,-0.2 400,-0.3 0.912 114.1 51.0 -65.9 -41.2 -16.0 14.7 11.7 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.4 5,-0.3 0.940 108.8 49.7 -62.1 -42.7 -18.9 15.6 14.0 96 96 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.934 110.2 50.6 -65.8 -33.3 -21.4 14.0 11.7 97 97 A A H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.927 111.0 49.2 -64.7 -44.3 -19.3 10.8 11.5 98 98 A Q H X S+ 0 0 26 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.920 113.7 44.7 -61.6 -47.7 -19.0 10.6 15.3 99 99 A F H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.925 115.3 49.4 -64.9 -39.2 -22.8 11.1 15.8 100 100 A F H X S+ 0 0 2 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.956 114.9 43.2 -62.1 -55.2 -23.6 8.5 12.9 101 101 A I H X S+ 0 0 9 -4,-3.3 4,-3.1 1,-0.2 -1,-0.2 0.881 114.6 49.5 -64.4 -34.5 -21.2 5.9 14.4 102 102 A T H < S+ 0 0 10 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.937 113.5 46.2 -67.1 -45.5 -22.4 6.5 17.9 103 103 A G H < S+ 0 0 1 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.876 122.0 38.6 -61.9 -37.4 -26.1 6.2 16.9 104 104 A A H < S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.888 133.0 19.5 -84.6 -39.8 -25.3 3.1 14.8 105 105 A F S >< S- 0 0 2 -4,-3.1 3,-1.8 -5,-0.2 -1,-0.2 -0.453 80.2-179.8-128.0 58.4 -22.7 1.3 17.0 106 106 A P T 3 S+ 0 0 24 0, 0.0 376,-0.2 0, 0.0 3,-0.1 -0.390 71.6 17.3 -61.8 138.8 -23.3 2.7 20.4 107 107 A G T 3 S+ 0 0 4 1,-0.3 2,-0.3 374,-0.2 375,-0.1 0.468 103.0 113.4 83.9 -0.0 -21.0 1.3 23.0 108 108 A a S < S- 0 0 7 -3,-1.8 2,-1.1 -7,-0.2 -1,-0.3 -0.748 74.3-114.8-108.4 156.7 -18.5 -0.1 20.4 109 109 A D + 0 0 102 -2,-0.3 -1,-0.0 -3,-0.1 -32,-0.0 -0.708 55.3 144.9 -94.2 96.3 -15.0 0.9 19.7 110 110 A V - 0 0 27 -2,-1.1 -5,-0.1 -5,-0.1 -2,-0.1 -0.916 35.6-148.6-138.2 100.0 -15.2 2.4 16.1 111 111 A P - 0 0 78 0, 0.0 2,-0.7 0, 0.0 -26,-0.6 -0.303 11.4-129.1 -69.7 152.5 -12.8 5.3 15.5 112 112 A V E -d 85 0A 25 -28,-0.1 2,-0.3 -26,-0.0 -26,-0.2 -0.938 28.5-150.7 -99.0 114.7 -13.5 8.2 13.1 113 113 A H E +d 86 0A 68 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30.0-136.7 -72.4 133.1 -17.1 -4.8 35.8 509 122 B D >> - 0 0 9 -2,-0.2 3,-1.8 1,-0.1 4,-0.6 -0.785 19.7-127.1 -83.6 132.4 -14.1 -2.5 36.0 510 123 B P G >4 S+ 0 0 86 0, 0.0 3,-1.1 0, 0.0 5,-0.2 0.836 107.8 65.6 -48.6 -35.6 -12.8 -2.5 39.7 511 124 B T G 34 S+ 0 0 25 1,-0.3 142,-0.1 138,-0.1 139,-0.1 0.881 114.6 28.9 -52.9 -39.0 -13.0 1.4 39.6 512 125 B F G <4 S+ 0 0 1 -3,-1.8 -1,-0.3 137,-0.1 162,-0.1 0.260 93.5 106.4-107.4 7.1 -16.8 1.1 39.4 513 126 B N << - 0 0 38 -3,-1.1 2,-1.9 -4,-0.6 137,-0.1 -0.823 56.9-155.7 -97.9 110.4 -17.4 -2.2 41.1 514 127 B P + 0 0 3 0, 0.0 2,-0.3 0, 0.0 133,-0.2 -0.537 37.7 153.5 -85.9 71.0 -19.0 -1.4 44.6 515 128 B V - 0 0 23 -2,-1.9 2,-0.3 131,-0.5 66,-0.3 -0.813 51.0-101.5-109.5 149.2 -17.8 -4.6 46.2 516 129 B I - 0 0 0 64,-2.7 63,-2.6 61,-0.5 64,-0.1 -0.475 31.9-176.4 -67.1 125.9 -17.1 -5.4 49.9 517 130 B T + 0 0 56 -2,-0.3 2,-0.5 61,-0.2 -1,-0.1 0.387 59.0 78.3-105.8 -0.7 -13.3 -5.4 50.6 518 131 B D - 0 0 63 1,-0.1 61,-0.1 2,-0.1 -2,-0.0 -0.946 52.1-172.9-121.3 121.1 -13.3 -6.4 54.3 519 132 B N + 0 0 100 -2,-0.5 59,-0.1 59,-0.1 -1,-0.1 0.504 44.0 120.9 -97.9 -1.8 -13.8 -10.2 55.1 520 133 B S > - 0 0 27 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.263 66.6-131.8 -62.9 142.5 -14.0 -9.9 58.9 521 134 B P H > S+ 0 0 65 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.787 106.9 60.4 -71.2 -19.8 -17.3 -11.2 60.4 522 135 B E H > S+ 0 0 128 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.928 105.2 47.2 -70.1 -41.7 -17.5 -8.0 62.5 523 136 B F H > S+ 0 0 26 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.944 114.8 47.5 -60.5 -47.6 -17.6 -5.9 59.3 524 137 B R H X S+ 0 0 68 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.929 113.3 47.1 -58.1 -49.5 -20.3 -8.3 57.9 525 138 B E H X S+ 0 0 107 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.916 115.2 45.1 -59.4 -42.2 -22.4 -8.3 61.0 526 139 B K H X S+ 0 0 126 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.913 113.2 50.7 -71.5 -42.4 -22.3 -4.5 61.3 527 140 B A H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.955 111.9 47.9 -56.7 -50.2 -23.0 -4.0 57.6 528 141 B L H X S+ 0 0 33 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.900 112.3 48.8 -58.6 -42.6 -26.1 -6.4 57.8 529 142 B K H X S+ 0 0 129 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.908 111.2 50.0 -68.0 -37.8 -27.3 -4.6 60.9 530 143 B A H X S+ 0 0 17 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.871 112.2 47.4 -67.9 -37.8 -27.0 -1.2 59.2 531 144 B M H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.948 113.5 47.8 -66.2 -45.7 -28.8 -2.4 56.1 532 145 B E H X S+ 0 0 66 -4,-2.7 4,-3.2 -5,-0.2 -2,-0.2 0.906 110.8 52.1 -61.0 -42.5 -31.6 -3.9 58.2 533 146 B T H X S+ 0 0 61 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.879 111.3 46.3 -58.9 -40.9 -31.9 -0.7 60.3 534 147 B E H >< S+ 0 0 60 -4,-1.7 3,-0.6 1,-0.2 4,-0.4 0.933 115.4 46.6 -72.4 -45.5 -32.2 1.5 57.2 535 148 B R H >< S+ 0 0 44 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.916 105.2 60.2 -61.3 -46.2 -34.8 -0.9 55.7 536 149 B Q H 3< S+ 0 0 137 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.752 96.3 62.4 -59.5 -21.6 -36.8 -1.1 59.0 537 150 B K T << S+ 0 0 145 -4,-0.9 -1,-0.3 -3,-0.6 2,-0.2 0.727 89.2 87.7 -72.0 -18.1 -37.4 2.6 59.0 538 151 B M < - 0 0 33 -3,-2.1 2,-0.8 -4,-0.4 -3,-0.0 -0.583 67.1-146.1 -92.7 142.6 -39.4 2.4 55.7 539 152 B Q + 0 0 148 -2,-0.2 4,-0.2 1,-0.1 3,-0.1 -0.871 34.9 155.7-108.3 99.7 -43.1 1.8 55.4 540 153 B L > + 0 0 5 -2,-0.8 4,-2.7 1,-0.1 5,-0.2 0.487 39.2 95.0-107.9 -6.6 -43.4 -0.2 52.2 541 154 B T H > S+ 0 0 88 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.896 85.8 52.8 -63.6 -36.7 -46.6 -2.2 52.4 542 155 B E H > S+ 0 0 124 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.959 110.8 48.8 -57.4 -49.1 -48.7 0.3 50.5 543 156 B S H > S+ 0 0 1 -4,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.937 112.9 48.3 -50.4 -52.4 -46.1 0.3 47.7 544 157 B Y H X S+ 0 0 4 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.890 109.3 50.4 -61.5 -41.8 -46.2 -3.5 47.6 545 158 B K H X S+ 0 0 96 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.931 112.0 48.5 -63.9 -40.2 -49.9 -3.9 47.6 546 159 B L H X S+ 0 0 44 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.917 112.5 48.5 -60.8 -48.3 -50.1 -1.5 44.7 547 160 B L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.873 107.7 54.2 -62.9 -35.2 -47.4 -3.3 42.9 548 161 B E H X>S+ 0 0 26 -4,-2.5 5,-1.6 1,-0.2 4,-1.4 0.892 110.8 47.7 -65.8 -40.5 -49.1 -6.8 43.4 549 162 B Q H <5S+ 0 0 147 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.884 111.1 49.3 -67.0 -38.0 -52.3 -5.4 41.9 550 163 B M H <5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.847 121.3 34.8 -70.9 -33.9 -50.6 -3.8 38.9 551 164 B T H <5S- 0 0 0 -4,-2.0 -129,-0.5 -5,-0.2 -1,-0.2 0.588 97.0-127.6 -96.2 -11.3 -48.6 -7.0 38.0 552 165 B N T ><5 + 0 0 67 -4,-1.4 3,-1.8 -132,-0.1 -3,-0.2 0.950 40.3 179.6 53.2 52.6 -51.1 -9.8 39.0 553 166 B Y G > < + 0 0 3 -5,-1.6 3,-1.9 1,-0.3 6,-0.4 0.810 68.6 62.3 -59.4 -35.1 -48.2 -11.1 41.1 554 167 B A G 3 S+ 0 0 57 1,-0.3 -1,-0.3 -6,-0.3 -2,-0.1 0.729 106.2 48.0 -67.1 -15.8 -50.1 -14.1 42.5 555 168 B D G < S+ 0 0 75 -3,-1.8 -1,-0.3 -136,-0.1 -2,-0.2 0.267 90.9 110.3-102.1 15.9 -50.5 -15.3 39.0 556 169 B S S <> S- 0 0 0 -3,-1.9 4,-2.7 -137,-0.2 3,-0.4 -0.386 83.4-105.3 -87.0 169.8 -46.9 -14.9 37.9 557 170 B P H >>S+ 0 0 21 0, 0.0 4,-3.1 0, 0.0 5,-1.0 0.841 119.8 60.9 -54.8 -38.8 -44.2 -17.7 37.1 558 171 B S H >5S+ 0 0 18 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